SCHEMBL29838632

SCHEMBL29838632

O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(C2=CCOCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 14/20 0.63
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ KCNK2 O95069 1/20 0.52
▸ KCNK10 P57789 1/20 0.52
▸ AKR1C4 P17516 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ AKR1C2 P52895 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51
▸ ALB P02768 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL415975 1.00 SERPINE1 (0.63) SERPINE1CA12CA1CA2CA7
SCHEMBL416780 0.88 SERPINE1 (0.49) SERPINE1
SCHEMBL421010 0.78 SERPINE1 (1.00) SERPINE1CA12CA1CA2CA7
SCHEMBL540040 0.78 IKBKE (0.39) SERPINE1CA1CA2
SCHEMBL6358123 0.75 SERPINE1 (0.89) SERPINE1CA12CA1CA2CA7
SCHEMBL6349535 0.75 SERPINE1 (0.74) SERPINE1CA12CA1CA2CA7
SCHEMBL6351321 0.75 SERPINE1 (0.89) SERPINE1CA12CA1CA2CA7
SCHEMBL420923 0.74 SERPINE1 (0.61) SERPINE1CA12CA1CA2CA7
SCHEMBL20898592 0.74 RAB9A (0.55) —
SCHEMBL420951 0.73 IKBKE (0.44) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039276-A1 INHIBITOR AGAINST EXPRESSION OF IMMUNE CHECKPOINT MOLECULE Renascience Inc. (JP) 2022-08-10 — — EP disclosed
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